Vitas-M small molecule compound
5,8-dihydroxy-6-methyl-1,4-dioxo-3-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)thio]-1,4-dihydronaphthalen-2-yl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranoside
Catalog ID
STL564560
SMILES CC(=O)OC[C@H]1O[C@@H](SC2=C(S[C@@H]3O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]3OC(=O)C)OC(=O)C)OC(=O)C)C(=O)c3c(C2=O)c(O)c(cc3O)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C39H44O22S2 MW 928.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H44O22S2/c1-13-10-22(48)25-26(27(13)49)29(51)37(63-39-35(59-21(9)47)33(57-19(7)45)31(55-17(5)43)24(61-39)12-53-15(3)41)36(28(25)50)62-38-34(58-20(8)46)32(56-18(6)44)30(54-16(4)42)23(60-38)11-52-14(2)40/h10,23-24,30-35,38-39,48-49H,11-12H2,1-9HInChIKey
FYBWWQITBMVXQI-VHHWZAIMSA-NSynonyms
((2R3R4S5R6S)345tris(acetyloxy)6((58dihydroxy7methyl14dioxo3(((2S3R4S5R6R)345tris(acetyloxy)6((acetyloxy)methyl)oxan2yl)sulfanyl)14dihydronaphthalen2yl)sulfanyl)oxan2yl)methylacetate
58dihydroxy6methyl14dioxo3((2346tetraOacetylbetaDglucopyranosyl)thio)14dihydronaphthalen2yl2346tetraOacetyl1thiobetaDglucopyranoside
CC(=O)OC(C@H)1O(C@@H)(SC2=C(S(C@@H)3O(C@H)(COC(=O)C)(C@H)((C@@H)((C@H)3OC(=O)C)OC(=O)C)OC(=O)C)C(=O)c3c(C2=O)c(O)c(cc3O)C)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)OC(=O)C
MFCD32651504
ZINC000217380474
Check stock
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Check stock on Vitas-MAvailable files
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